SCHEMBL8303063

SCHEMBL8303063

CCc1ccc(C)c(OCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
TSHR P16473 2/20 0.42
SLC22A12 Q96S37 1/20 0.40
TRPA1 O75762 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
ROCK2 O75116 2/20 0.38
SLC6A4 P31645 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14228289 0.90 TSHR (0.44) PKMTSHRSLC22A12TRPA1TTR
SCHEMBL26048878 0.87 TSHR (0.44) TSHRSLC22A12TTRCYP1A2CYP2C8
SCHEMBL8303064 0.86 S1PR1 (0.41) TSHRTRPA1ALDH1A1PTGDR2FFAR1
SCHEMBL12044516 0.84 TSHR (0.44) PKMTSHRSLC22A12TTRCYP1A2
SCHEMBL14183053 0.81 PKM (0.45) PKMTSHRSLC22A12TRPA1CYP1A2
SCHEMBL8373048 0.81 KCNH2 (0.53) TSHRPPARASMN1; SMN2KCNH2TMEM97
SCHEMBL516010 0.79 TSHR (0.64) TSHRTTRCYP1A2CYP2C8CHRM1
SCHEMBL24838152 0.78 ALDH1A1 (0.42) TSHRSMN1; SMN2TDP1ALDH1A1KDM4E
SCHEMBL16501351 0.78 ADRB2 (0.45) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL14228536 0.78 DRD2 (0.48) SLC22A12CYP1A2PPARGPPARATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090035313-A1 Compounds NQO1, NAMPT, NNT PKM 866/4885TSHR 1905/4885SLC22A12 1654/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.